SCHEMBL14294530

SCHEMBL14294530

COC(=O)[C@H](Cc1ccc(CCN(C(=O)OCC(Cl)(Cl)Cl)c2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.46
ITGA5 P08648 13/20 0.46
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA4 P13612 6/20 0.40
ITGB7 P26010 4/20 0.40
TRPM8 Q7Z2W7 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4067046 0.94 ITGB1 (0.50) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4920466 0.89 ITGB1 (0.52) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4070367 0.85 ITGB1 (0.49) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL8232473 0.85 ITGB1 (0.49) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL8232289 0.81 TRPM8 (0.48) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4070578 0.81 ITGB1 (0.52) ITGB1ITGA5ITGB3ITGAV
SCHEMBL14270715 0.80 ITGB1 (0.53) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4248278 0.77 ITGB1 (0.52) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4068005 0.77 ITGB1 (0.53) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4075350 0.77 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGB1 2/4885ITGA5 7/4885ITGB3 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.